4-fluoranyl-N-[3-[[(2-methylphenyl)carbamothioylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 4-fluoranyl-N-[3-[[(2-methylphenyl)carbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-fluoro-N-[3-[(o-tolylcarbamothioylamino)carbamoyl]phenyl]benzamide CAS Name: 4-fluoro-N-[3-[[[(2-methylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-fluoro-N-[3-[[(2-methylphenyl)carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-fluoro-N-[3-[(o-tolylthiocarbamoylamino)carbamoyl]phenyl]benzamide Formula: C22H19FN4O2S MolecularWeight: 422.475263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FN4O2S/c1-14-5-2-3-8-19(14)25-22(30)27-26-21(29)16-6-4-7-18(13-16)24-20(28)15-9-11-17(23)12-10-15/h2-13H,1H3,(H,24,28)(H,26,29)(H2,25,27,30)